3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione

C16H22N2O2 — CID 64958754

IUPAC3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-11(3)14-16(20)18(12-9-7-6-8-10-12)13(5-2)15(19)17-14/h6-11,13-14H,4-5H2,1-3H3,(H,17,19)
InChIKeyHQTWHHHEEVENHR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.34
Rot. Bonds4

About 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione

3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione (PubChem CID 64958754) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
PubChem CID64958754
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-11(3)14-16(20)18(12-9-7-6-8-10-12)13(5-2)15(19)17-14/h6-11,13-14H,4-5H2,1-3H3,(H,17,19)
InChIKeyHQTWHHHEEVENHR-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-6-ethyl-1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64961099
3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958766
3-butan-2-yl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959451
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79360326
1-(2,6-dibromophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 107604069
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64964838
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689
(3S,6S)-3-[(2S)-butan-2-yl]-6-phenylpiperazine-2,5-dione
CID 131938649
3-benzyl-6-butan-2-ylpiperazine-2,5-dione
CID 14278866
6-butan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11436446

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione (CID 64958754) is 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)N(c2ccccc2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione?
The InChIKey is HQTWHHHEEVENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11(3)14-16(20)18(12-9-7-6-8-10-12)13(5-2)15(19)17-14/h6-11,13-14H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione?
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64958754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).